3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol

C12H22N4O2S — CID 107772904

IUPAC3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
SMILESCCNc1nc(OC(C)C)nc(SC(C)C(C)O)n1
InChIInChI=1S/C12H22N4O2S/c1-6-13-10-14-11(18-7(2)3)16-12(15-10)19-9(5)8(4)17/h7-9,17H,6H2,1-5H3,(H,13,14,15,16)
InChIKeyNLXDZVHRJNDQAS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.95
Rot. Bonds7

About 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol

3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol (PubChem CID 107772904) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
PubChem CID107772904
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
SMILESCCNc1nc(OC(C)C)nc(SC(C)C(C)O)n1
InChIInChI=1S/C12H22N4O2S/c1-6-13-10-14-11(18-7(2)3)16-12(15-10)19-9(5)8(4)17/h7-9,17H,6H2,1-5H3,(H,13,14,15,16)
InChIKeyNLXDZVHRJNDQAS-UHFFFAOYSA-N
XLogP1.95
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886619
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332
N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887629
4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80872353
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198621
4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871999
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890838
4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83145978
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928369
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772731

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol?
The IUPAC name of 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol (CID 107772904) is 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol?
The canonical SMILES for 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol is CCNc1nc(OC(C)C)nc(SC(C)C(C)O)n1.
What is the InChIKey of 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol?
The InChIKey is NLXDZVHRJNDQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-6-13-10-14-11(18-7(2)3)16-12(15-10)19-9(5)8(4)17/h7-9,17H,6H2,1-5H3,(H,13,14,15,16).
What are the key properties of 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol?
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol is sourced from PubChem (CID 107772904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).